apset: Atom pairs stored in 'APset' object
In girke-lab/ChemmineR: Cheminformatics Toolkit for R
apset R Documentation
Atom pairs stored in APset object
Description
Atom pairs for 100 molecules stored in sdfsample.
Usage
data(apset)
Format
Object of class apset
Details
Object stores atom pairs of 100 molecules.
Source
apset <- sdf2ap(sdfsample)
References
Chen X and Reynolds CH (2002). "Performance of similarity measures
in 2D fragment-based similarity searching: comparison of structural descriptors
and similarity coefficients", J Chem Inf Comput Sci.
Examples
data(apset)
apset[1:4]
view(apset[1:4])
girke-lab/ChemmineR documentation built on July 28, 2023, 10:36 a.m.
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| apset | R Documentation |
Atom pairs stored in APset object
Description
Atom pairs for 100 molecules stored in sdfsample.
Usage
data(apset)Format
Object of class apset
Details
Object stores atom pairs of 100 molecules.
Source
apset <- sdf2ap(sdfsample)
References
Chen X and Reynolds CH (2002). "Performance of similarity measures in 2D fragment-based similarity searching: comparison of structural descriptors and similarity coefficients", J Chem Inf Comput Sci.
Examples
data(apset)
apset[1:4]
view(apset[1:4])
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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